(1S)-1-(2-methylsulfanylphenyl)propan-1-amine

C10H15NS — CID 103663388

IUPAC(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccccc1SC
InChIInChI=1S/C10H15NS/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7,9H,3,11H2,1-2H3/t9-/m0/s1
InChIKeyPFIXELXDFWCWBD-VIFPVBQESA-N
MW181.30 g/mol
LogP2.82
Rot. Bonds3

About (1S)-1-(2-methylsulfanylphenyl)propan-1-amine

(1S)-1-(2-methylsulfanylphenyl)propan-1-amine (PubChem CID 103663388) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (1S)-1-(2-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
PubChem CID103663388
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccccc1SC
InChIInChI=1S/C10H15NS/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7,9H,3,11H2,1-2H3/t9-/m0/s1
InChIKeyPFIXELXDFWCWBD-VIFPVBQESA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
CID 112678521
2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115803857
(1R)-1-(2-methylsulfanylphenyl)but-3-en-1-amine
CID 55295815
(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171211776
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959625
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
2-[(1S)-1-aminopropyl]benzenethiol
CID 55292723
2-(1-aminopropyl)benzenethiol
CID 22286714
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
CID 112678597
4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039765

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(2-methylsulfanylphenyl)propan-1-amine (CID 103663388) is (1S)-1-(2-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(2-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(2-methylsulfanylphenyl)propan-1-amine is CC[C@H](N)c1ccccc1SC.
What is the InChIKey of (1S)-1-(2-methylsulfanylphenyl)propan-1-amine?
The InChIKey is PFIXELXDFWCWBD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NS/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7,9H,3,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-methylsulfanylphenyl)propan-1-amine?
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 103663388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).